methyl 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]ethanoyl]-3-quinolin-6-yloxy-pyrrolidin-1-ium-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]ethanoyl]-3-quinolin-6-yloxy-pyrrolidin-1-ium-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]acetyl]-3-(6-quinolyloxy)pyrrolidin-1-ium-1-yl]methoxy]benzoate CAS Name: 4-[[1-[2-[4-[[(2-chloroanilino)-oxomethyl]amino]-3-methoxyphenyl]-1-oxoethyl]-3-(6-quinolinyloxy)-1-pyrrolidin-1-iumyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-3-quinolin-6-yloxypyrrolidin-1-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]acetyl]-3-(6-quinolyloxy)pyrrolidin-1-ium-1-yl]methoxy]benzoic acid methyl ester Formula: C38H36ClN4O7+ MolecularWeight: 696.16804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)[N+]2(CCC(C2)OC3=CC4=C(C=C3)N=CC=C4)COC5=CC=C(C=C5)C(=O)OC)NC(=O)NC6=CC=CC=C6Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)[N+]2(CCC(C2)OC3=CC4=C(C=C3)N=CC=C4)COC5=CC=C(C=C5)C(=O)OC)NC(=O)NC6=CC=CC=C6Cl

InChI

InChI=1S/C38H35ClN4O7/c1-47-35-20-25(9-15-34(35)42-38(46)41-33-8-4-3-7-31(33)39)21-36(44)43(24-49-28-12-10-26(11-13-28)37(45)48-2)19-17-30(23-43)50-29-14-16-32-27(22-29)6-5-18-40-32/h3-16,18,20,22,30H,17,19,21,23-24H2,1-2H3,(H-,41,42,46)/p+1